(η(4)-cycloocta-1,5-diene)(η(5)-heptamethylcyclohexadienyl)iridium | 172036-17-8

• 英文名称: (η(4)-cycloocta-1,5-diene)(η(5)-heptamethylcyclohexadienyl)iridium
• 英文别名: η(4)-cycloocta-1,5-dien-η(5)-heptamethylcyclohexadienyl-iridium
• CAS: 172036-17-8
• 化学式: C₂₁H₃₃Ir
• 分子量: 477.713
• InChiKey: USMJLGQFNNTTHE-GHDUESPLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  (η(4)-cycloocta-1,5-diene)(η(6)-hexamethylbenzene)iridium tetrafluoroborate 在 MeLi 作用下， 以 乙醚 为溶剂， 以38%的产率得到(η(4)-cycloocta-1,5-diene)(η(5)-heptamethylcyclohexadienyl)iridium
  参考文献：
  名称：

  π-olefin-iridium- komplexe XXIII umsetzungen reaktiver cycloocta-1,5-dien-rhodium- und -iridium-Verbindungen mit Alkinen

  摘要：

  A detailed study of the reaction of [{(cod)IrCl}(2)] (cod=eta(4)-cycloocta-1,5-diene) with MeLi led to an improved synthesis of [{(cod)Ir(mu-CH2)}(2)] (1). Reaction of 1 with 3-hexyne yields a mixture of products from which the iridacyclopentadienyl complex [eta(5){1-(cod)-1,1-H-2-IrCH=CEtCEt=CH}(cod)Ir] (2) as well as a compound of formal composition [(cod)(2)Ir-2(hexyne)(3)] (5) were isolated; 2 was characterized by X-ray crystal analysis. On the other hand, direct interaction between [{(cod)IrCl}(2)] and MeLi in the presence of 2-butyne affords [(Cod)(eta(5)-C(6)Me(7))Ir] (6). The latter may be alternatively synthesized by reaction of [{(cod)IrCl}(2)] with AgBF4 and 2-butyne and successive treatment of the resulting [(cod)(eta(6)-C(6)Me(6))Ir](+) cation (7) with MeLi. Reaction of [{(cod)RhCl}(2)] with 2-butyne in the presence of n-PrLi afforded the trinuclear rhodacyclopentadienyl complex [eta(5){1-(cod)-1-(mu-H)-RhCMe=CMeCMe=CMe}{(cod)Rh}(2)] (8).

  DOI：

  10.1016/0022-328x(95)05686-j